Vitas-M small molecule compound

ethyl 4-amino-2-[({4-amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl)sulfanyl]pyrimidine-5-carboxylate

Catalog ID
STK167034
SMILES CCOC(=O)c1cnc(nc1N)SCc1nc(N)nc(n1)Nc1ccc(cc1)OC

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C18H20N8O3S MW 428.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N8O3S/c1-3-29-15(27)12-8-21-18(25-14(12)19)30-9-13-23-16(20)26-17(24-13)22-10-4-6-11(28-2)7-5-10/h4-8H,3,9H2,1-2H3,(H2,19,21,25)(H3,20,22,23,24,26)
InChIKey
FMFGOZRWHQCMTO-UHFFFAOYSA-N
Synonyms
669743-37-7
CCOC(=O)C1=CN=C(N=C1N)SCC2=NC(=NC(=N2)NC3=CC=C(C=C3)OC)N
ETHYL4AMINO2((((6Z)4AMINO6((4METHOXYPHENYL)IMINO)16DIHYDRO135TRIAZIN2YL)METHYL)SULFANYL)PYRIMIDINE5CARBOXYLATE
ETHYL4AMINO2(((4AMINO6((4METHOXYPHENYL)AMINO)135TRIAZIN2YL)METHYL)SULFANYL)PYRIMIDINE5CARBOXYLATE
ETHYL4AMINO2(((4AMINO6((4METHOXYPHENYL)AMINO)135TRIAZIN2YL)METHYL)THIO)5PYRIMIDINECARBOXYLATE
ethyl4amino2(((4amino6((4methoxyphenyl)amino)135triazin2yl)methyl)thio)pyrimidine5carboxylate
ETHYL4AMINO2((4AMINO6((4METHOXYPHENYL)AMINO)(135TRIAZIN2YL))METHYLTHIO)PYRIMIDINE5CARBOXYLATE
ETHYL4AMINO2((4AMINO6(4METHOXYANILINO)135TRIAZIN2YL)METHYLSULFANYL)PYRIMIDINE5CARBOXYLATE
InChI=1SC18H20N8O3Sc132915(27)1282118(2514(12)19)309132316(20)2617(2413)22104611(282)7510h48H39H212H3(H2192125)(H32022232426)
MFCD04169843
ZINC02604001
ZINC2604001

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.